9-(2-methylpropoxycarbonyl)perylene-3-carboxylate

Systemtic Name: 9-(2-methylpropoxycarbonyl)perylene-3-carboxylate Openeye Name: 9-isobutoxycarbonylperylene-3-carboxylate CAS Name: 9-[2-methylpropoxy(oxo)methyl]-3-perylenecarboxylate IUPAC Name: 9-(2-methylpropoxycarbonyl)perylene-3-carboxylate Traditional Name: 9-isobutoxycarbonylperylene-3-carboxylate Formula: C26H19O4- MolecularWeight: 395.42666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)[O-]

InChI

InChI=1S/C26H20O4/c1-14(2)13-30-26(29)22-12-10-20-15-5-3-7-17-21(25(27)28)11-9-19(23(15)17)16-6-4-8-18(22)24(16)20/h3-12,14H,13H2,1-2H3,(H,27,28)/p-1